BDBM448219 US10689401, EX 21::US11008338, Example 21

SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F

InChI Key InChIKey=PQHKPNMCPHYYOU-VGOFRKELSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 448219   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM448219(US10689401, EX 21 | US11008338, Example 21)
Affinity DataKi:  9.70nMAssay Description:BACE1: A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM448219(US10689401, EX 21 | US11008338, Example 21)
Affinity DataKi:  88nMAssay Description:BACE2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent